2-(4-propylphenyl)sulfanylthiophene

C13H14S2 — CID 67533746

IUPAC2-(4-propylphenyl)sulfanylthiophene
SMILESCCCc1ccc(Sc2cccs2)cc1
InChIInChI=1S/C13H14S2/c1-2-4-11-6-8-12(9-7-11)15-13-5-3-10-14-13/h3,5-10H,2,4H2,1H3
InChIKeyXYWAGVMYYPZIFI-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.85
Rot. Bonds4

About 2-(4-propylphenyl)sulfanylthiophene

2-(4-propylphenyl)sulfanylthiophene (PubChem CID 67533746) has the molecular formula C13H14S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-(4-propylphenyl)sulfanylthiophene.

Molecular Properties

Compound Name2-(4-propylphenyl)sulfanylthiophene
PubChem CID67533746
Molecular FormulaC13H14S2
Molecular Weight234.39 g/mol
Exact Mass234.05
IUPAC Name2-(4-propylphenyl)sulfanylthiophene
SMILESCCCc1ccc(Sc2cccs2)cc1
InChIInChI=1S/C13H14S2/c1-2-4-11-6-8-12(9-7-11)15-13-5-3-10-14-13/h3,5-10H,2,4H2,1H3
InChIKeyXYWAGVMYYPZIFI-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43286479
N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286478
(1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
CID 28602971
2-(4-nitrophenyl)sulfanylthiophene
CID 51063980
(2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol
CID 63813796
1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398434
(R)-(4-propylphenyl)-thiophen-2-ylmethanamine
CID 7129560
N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine
CID 63804996
2-ethyl-5-thiophen-2-ylsulfanylthiophene
CID 67534355
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80991399
1-(4-propylphenyl)-2-thiophen-2-ylethanamine
CID 62800451

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylphenyl)sulfanylthiophene?
The IUPAC name of 2-(4-propylphenyl)sulfanylthiophene (CID 67533746) is 2-(4-propylphenyl)sulfanylthiophene.
What is the SMILES notation for 2-(4-propylphenyl)sulfanylthiophene?
The canonical SMILES for 2-(4-propylphenyl)sulfanylthiophene is CCCc1ccc(Sc2cccs2)cc1.
What is the InChIKey of 2-(4-propylphenyl)sulfanylthiophene?
The InChIKey is XYWAGVMYYPZIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S2/c1-2-4-11-6-8-12(9-7-11)15-13-5-3-10-14-13/h3,5-10H,2,4H2,1H3.
What are the key properties of 2-(4-propylphenyl)sulfanylthiophene?
2-(4-propylphenyl)sulfanylthiophene has a molecular weight of 234.39 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylphenyl)sulfanylthiophene is sourced from PubChem (CID 67533746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).